4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide

C20H17N3O4 — CID 166392215

IUPAC4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESNCc1cccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)c1
InChIInChI=1S/C20H17N3O4/c21-12-13-2-1-3-16(10-13)14-4-6-15(7-5-14)20(25)22-18-11-17(23(26)27)8-9-19(18)24/h1-11,24H,12,21H2,(H,22,25)
InChIKeyZGSMHDDDPWYCSQ-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.68
Rot. Bonds5

About 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide

4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 166392215) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID166392215
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESNCc1cccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)c1
InChIInChI=1S/C20H17N3O4/c21-12-13-2-1-3-16(10-13)14-4-6-15(7-5-14)20(25)22-18-11-17(23(26)27)8-9-19(18)24/h1-11,24H,12,21H2,(H,22,25)
InChIKeyZGSMHDDDPWYCSQ-UHFFFAOYSA-N
XLogP3.68
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
4-(aminomethyl)-N-(2-bromo-4-nitrophenyl)benzamide
CID 43710479
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744674
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 3323180
3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342365
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342490
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 166392215) is 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide is NCc1cccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is ZGSMHDDDPWYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c21-12-13-2-1-3-16(10-13)14-4-6-15(7-5-14)20(25)22-18-11-17(23(26)27)8-9-19(18)24/h1-11,24H,12,21H2,(H,22,25).
What are the key properties of 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide?
4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 363.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 166392215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).